data_27874 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N chemical shifts for D38A AcpP, titrated with 0.00, 0.50, 1.00, 1.50, and 2.00 equivalents of FabB ; _BMRB_accession_number 27874 _BMRB_flat_file_name bmr27874.str _Entry_type original _Submission_date 2019-04-08 _Accession_date 2019-04-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Two separate titration experiments with FabB' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee David J. . 2 Hale Joseph J. . 3 Burkart Michael D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 360 "15N chemical shifts" 360 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-10 update BMRB 'update entry citation' 2019-05-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27872 'wt AcpP, titrated with 0.00, 0.50, 1.00, 1.50, and 2.00 equivalents of FabB' stop_ _Original_release_date 2019-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for interactions between an acyl carrier protein and a ketosynthase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31209348 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Milligan Jacob C. . 2 Lee D. J . 3 Jackson David R. . 4 Schaub Andrew J. . 5 Beld Joris . . 6 Barajas Jesus F. . 7 Hale Joseph J. . 8 Luo Ray . . 9 Burkart Michael D. . 10 Tsai Shiou-Chuan . . stop_ _Journal_abbreviation 'Nat. Chem. Biol.' _Journal_name_full 'Nature chemical biology' _Journal_volume 15 _Journal_issue 7 _Journal_ISSN 1552-4469 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 669 _Page_last 671 _Year 2019 _Details . loop_ _Keyword 'Acyl Carrier Protein' CSP 'Fatty Acid Biosynthesis' NMR Titration stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'D38A AcpP monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label D38A_AcpP $D38A_AcpP FabB $FabB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; PPantNHC8 attached to S36 of AcpP by phosphodiester bond bwteen atoms OG and P. PPantNHC8 is Phosphopantetheine bearing an amide-linked octanoyl acyl chain. ; save_ ######################## # Monomeric polymers # ######################## save_D38A_AcpP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common D38A_AcpP _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Carrier protein in fatty acid biosynthesis.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MMSTIEERVKKIIGEQLGVK QEEVTNNASFVEDIGADSLA TVELVMALEEEFDTEIPDEE AEKITTVQAAIDYINGHQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 SER 4 -18 SER 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 SER 12 -10 SER 13 -9 GLY 14 -8 LEU 15 -7 VAL 16 -6 PRO 17 -5 ARG 18 -4 GLY 19 -3 SER 20 -2 HIS 21 -1 MET 22 0 MET 23 1 SER 24 2 THR 25 3 ILE 26 4 GLU 27 5 GLU 28 6 ARG 29 7 VAL 30 8 LYS 31 9 LYS 32 10 ILE 33 11 ILE 34 12 GLY 35 13 GLU 36 14 GLN 37 15 LEU 38 16 GLY 39 17 VAL 40 18 LYS 41 19 GLN 42 20 GLU 43 21 GLU 44 22 VAL 45 23 THR 46 24 ASN 47 25 ASN 48 26 ALA 49 27 SER 50 28 PHE 51 29 VAL 52 30 GLU 53 31 ASP 54 32 ILE 55 33 GLY 56 34 ALA 57 35 ASP 58 36 SER 59 37 LEU 60 38 ALA 61 39 THR 62 40 VAL 63 41 GLU 64 42 LEU 65 43 VAL 66 44 MET 67 45 ALA 68 46 LEU 69 47 GLU 70 48 GLU 71 49 GLU 72 50 PHE 73 51 ASP 74 52 THR 75 53 GLU 76 54 ILE 77 55 PRO 78 56 ASP 79 57 GLU 80 58 GLU 81 59 ALA 82 60 GLU 83 61 LYS 84 62 ILE 85 63 THR 86 64 THR 87 65 VAL 88 66 GLN 89 67 ALA 90 68 ALA 91 69 ILE 92 70 ASP 93 71 TYR 94 72 ILE 95 73 ASN 96 74 GLY 97 75 HIS 98 76 GLN 99 77 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI 944805 acpP . . . . . stop_ save_ save_FabB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FabB _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Performs the extension step of fatty acid biosynthesis.' 'beta-ketoacyl-[acyl carrier protein] synthase I' stop_ _Details . _Residue_count 426 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MKRAVITGLGIVSSIGNNQQ EVLASLREGRSGITFSQELK DSGMRSHVWGNVKLDTTGLI DRKVVRFMSDASIYAFLSME QAIADAGLSPEAYQNNPRVG LIAGSGGGSPRFQVFGADAM RGPRGLKAVGPYVVTKAMAS GVSACLATPFKIHGVNYSIS SACATSAHCIGNAVEQIQLG KQDIVFAGGGEELCWEMACE FDAMGALSTKYNDTPEKASR TYDAHRDGFVIAGGGGMVVV EELEHALARGAHIYAEIVGY GATSDGADMVAPSGEGAVRC MKMAMHGVDTPIDYLNSHGT STPVGDVKELAAIREVFGDK SPAISATKAMTGHSLGAAGV QEAIYSLLMLEHGFIAPSIN IEELDEQAAGLNIVTETTDR ELTTVMSNSFGFGGTNATLV MRKLKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 LYS 23 ARG 24 ALA 25 VAL 26 ILE 27 THR 28 GLY 29 LEU 30 GLY 31 ILE 32 VAL 33 SER 34 SER 35 ILE 36 GLY 37 ASN 38 ASN 39 GLN 40 GLN 41 GLU 42 VAL 43 LEU 44 ALA 45 SER 46 LEU 47 ARG 48 GLU 49 GLY 50 ARG 51 SER 52 GLY 53 ILE 54 THR 55 PHE 56 SER 57 GLN 58 GLU 59 LEU 60 LYS 61 ASP 62 SER 63 GLY 64 MET 65 ARG 66 SER 67 HIS 68 VAL 69 TRP 70 GLY 71 ASN 72 VAL 73 LYS 74 LEU 75 ASP 76 THR 77 THR 78 GLY 79 LEU 80 ILE 81 ASP 82 ARG 83 LYS 84 VAL 85 VAL 86 ARG 87 PHE 88 MET 89 SER 90 ASP 91 ALA 92 SER 93 ILE 94 TYR 95 ALA 96 PHE 97 LEU 98 SER 99 MET 100 GLU 101 GLN 102 ALA 103 ILE 104 ALA 105 ASP 106 ALA 107 GLY 108 LEU 109 SER 110 PRO 111 GLU 112 ALA 113 TYR 114 GLN 115 ASN 116 ASN 117 PRO 118 ARG 119 VAL 120 GLY 121 LEU 122 ILE 123 ALA 124 GLY 125 SER 126 GLY 127 GLY 128 GLY 129 SER 130 PRO 131 ARG 132 PHE 133 GLN 134 VAL 135 PHE 136 GLY 137 ALA 138 ASP 139 ALA 140 MET 141 ARG 142 GLY 143 PRO 144 ARG 145 GLY 146 LEU 147 LYS 148 ALA 149 VAL 150 GLY 151 PRO 152 TYR 153 VAL 154 VAL 155 THR 156 LYS 157 ALA 158 MET 159 ALA 160 SER 161 GLY 162 VAL 163 SER 164 ALA 165 CYS 166 LEU 167 ALA 168 THR 169 PRO 170 PHE 171 LYS 172 ILE 173 HIS 174 GLY 175 VAL 176 ASN 177 TYR 178 SER 179 ILE 180 SER 181 SER 182 ALA 183 CYS 184 ALA 185 THR 186 SER 187 ALA 188 HIS 189 CYS 190 ILE 191 GLY 192 ASN 193 ALA 194 VAL 195 GLU 196 GLN 197 ILE 198 GLN 199 LEU 200 GLY 201 LYS 202 GLN 203 ASP 204 ILE 205 VAL 206 PHE 207 ALA 208 GLY 209 GLY 210 GLY 211 GLU 212 GLU 213 LEU 214 CYS 215 TRP 216 GLU 217 MET 218 ALA 219 CYS 220 GLU 221 PHE 222 ASP 223 ALA 224 MET 225 GLY 226 ALA 227 LEU 228 SER 229 THR 230 LYS 231 TYR 232 ASN 233 ASP 234 THR 235 PRO 236 GLU 237 LYS 238 ALA 239 SER 240 ARG 241 THR 242 TYR 243 ASP 244 ALA 245 HIS 246 ARG 247 ASP 248 GLY 249 PHE 250 VAL 251 ILE 252 ALA 253 GLY 254 GLY 255 GLY 256 GLY 257 MET 258 VAL 259 VAL 260 VAL 261 GLU 262 GLU 263 LEU 264 GLU 265 HIS 266 ALA 267 LEU 268 ALA 269 ARG 270 GLY 271 ALA 272 HIS 273 ILE 274 TYR 275 ALA 276 GLU 277 ILE 278 VAL 279 GLY 280 TYR 281 GLY 282 ALA 283 THR 284 SER 285 ASP 286 GLY 287 ALA 288 ASP 289 MET 290 VAL 291 ALA 292 PRO 293 SER 294 GLY 295 GLU 296 GLY 297 ALA 298 VAL 299 ARG 300 CYS 301 MET 302 LYS 303 MET 304 ALA 305 MET 306 HIS 307 GLY 308 VAL 309 ASP 310 THR 311 PRO 312 ILE 313 ASP 314 TYR 315 LEU 316 ASN 317 SER 318 HIS 319 GLY 320 THR 321 SER 322 THR 323 PRO 324 VAL 325 GLY 326 ASP 327 VAL 328 LYS 329 GLU 330 LEU 331 ALA 332 ALA 333 ILE 334 ARG 335 GLU 336 VAL 337 PHE 338 GLY 339 ASP 340 LYS 341 SER 342 PRO 343 ALA 344 ILE 345 SER 346 ALA 347 THR 348 LYS 349 ALA 350 MET 351 THR 352 GLY 353 HIS 354 SER 355 LEU 356 GLY 357 ALA 358 ALA 359 GLY 360 VAL 361 GLN 362 GLU 363 ALA 364 ILE 365 TYR 366 SER 367 LEU 368 LEU 369 MET 370 LEU 371 GLU 372 HIS 373 GLY 374 PHE 375 ILE 376 ALA 377 PRO 378 SER 379 ILE 380 ASN 381 ILE 382 GLU 383 GLU 384 LEU 385 ASP 386 GLU 387 GLN 388 ALA 389 ALA 390 GLY 391 LEU 392 ASN 393 ILE 394 VAL 395 THR 396 GLU 397 THR 398 THR 399 ASP 400 ARG 401 GLU 402 LEU 403 THR 404 THR 405 VAL 406 MET 407 SER 408 ASN 409 SER 410 PHE 411 GLY 412 PHE 413 GLY 414 GLY 415 THR 416 ASN 417 ALA 418 THR 419 LEU 420 VAL 421 MET 422 ARG 423 LYS 424 LEU 425 LYS 426 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI 946799 FabB . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $D38A_AcpP 'E. coli' 562 Bacteria . Escherichia coli AcpP $FabB 'E. coli' 562 Bacteria . Escherichia coli FabB stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $D38A_AcpP 'recombinant technology' . Escherichia coli BL21 pET28b $FabB 'recombinant technology' . Escherichia coli BL21 pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D38A_AcpP_0.0eqFabB _Saveframe_category sample _Sample_type solution _Details 'D38A AcpP with 0.0 eq FabB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D38A_AcpP 173 uM '[U-2H; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' TCEP 2.5 mM 'natural abundance' stop_ save_ save_D38A_AcpP_0.5eqFabB _Saveframe_category sample _Sample_type solution _Details 'D38A AcpP with 0.5 eq FabB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D38A_AcpP 173 uM '[U-2H; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' TCEP 2.5 mM 'natural abundance' $FabB 165 uM 'natural abundance' stop_ save_ save_D38A_AcpP_1.0eqFabB _Saveframe_category sample _Sample_type solution _Details 'D38A AcpP with 1.0 eq FabB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D38A_AcpP 173 uM '[U-2H; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' TCEP 2.5 mM 'natural abundance' $FabB 331 uM 'natural abundance' stop_ save_ save_D38A_AcpP_1.5eqFabB _Saveframe_category sample _Sample_type solution _Details 'D38A AcpP with 1.5 eq FabB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D38A_AcpP 173 uM '[U-2H; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' TCEP 2.5 mM 'natural abundance' $FabB 496 uM 'natural abundance' stop_ save_ save_D38A_AcpP_2.0eqFabB _Saveframe_category sample _Sample_type solution _Details 'D38A AcpP with 2.0 eq FabB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D38A_AcpP 173 uM '[U-2H; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' TCEP 2.5 mM 'natural abundance' $FabB 677 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D38A_AcpP_0.0eqFabB save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D38A_AcpP_0.5eqFabB save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D38A_AcpP_1.0eqFabB save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D38A_AcpP_1.5eqFabB save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $D38A_AcpP_2.0eqFabB save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.8 internal indirect . . . 1.000000000 water N 15 protons ppm 4.8 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_D38A_AcpP_0.0eqFabB_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $D38A_AcpP_0.0eqFabB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D38A_AcpP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 25 ILE H H 8.364 . . 2 3 25 ILE N N 122.360 . . 3 4 26 GLU H H 8.253 . . 4 4 26 GLU N N 115.037 . . 5 5 27 GLU H H 7.728 . . 6 5 27 GLU N N 117.808 . . 7 6 28 ARG H H 8.178 . . 8 6 28 ARG N N 120.335 . . 9 7 29 VAL H H 8.841 . . 10 7 29 VAL N N 119.608 . . 11 8 30 LYS H H 8.063 . . 12 8 30 LYS N N 117.493 . . 13 9 31 LYS H H 8.065 . . 14 9 31 LYS N N 121.457 . . 15 10 32 ILE H H 7.578 . . 16 10 32 ILE N N 120.012 . . 17 11 33 ILE H H 8.254 . . 18 11 33 ILE N N 119.371 . . 19 12 34 GLY H H 8.239 . . 20 12 34 GLY N N 105.515 . . 21 13 35 GLU H H 8.055 . . 22 13 35 GLU N N 120.737 . . 23 14 36 GLN H H 8.487 . . 24 14 36 GLN N N 117.345 . . 25 15 37 LEU H H 8.082 . . 26 15 37 LEU N N 114.114 . . 27 16 38 GLY H H 7.618 . . 28 16 38 GLY N N 110.432 . . 29 17 39 VAL H H 7.721 . . 30 17 39 VAL N N 114.683 . . 31 18 40 LYS H H 8.412 . . 32 18 40 LYS N N 123.316 . . 33 19 41 GLN H H 8.649 . . 34 19 41 GLN N N 123.299 . . 35 20 42 GLU H H 9.284 . . 36 20 42 GLU N N 117.133 . . 37 21 43 GLU H H 7.743 . . 38 21 43 GLU N N 117.419 . . 39 22 44 VAL H H 7.414 . . 40 22 44 VAL N N 122.849 . . 41 23 45 THR H H 7.170 . . 42 23 45 THR N N 115.911 . . 43 24 46 ASN H H 8.460 . . 44 24 46 ASN N N 119.238 . . 45 25 47 ASN H H 7.968 . . 46 25 47 ASN N N 112.390 . . 47 26 48 ALA H H 7.190 . . 48 26 48 ALA N N 123.489 . . 49 27 49 SER H H 9.811 . . 50 27 49 SER N N 117.470 . . 51 28 50 PHE H H 7.405 . . 52 28 50 PHE N N 125.611 . . 53 29 51 VAL H H 8.618 . . 54 29 51 VAL N N 117.203 . . 55 30 52 GLU H H 8.144 . . 56 30 52 GLU N N 117.256 . . 57 31 53 ASP H H 7.649 . . 58 31 53 ASP N N 114.526 . . 59 32 54 ILE H H 7.246 . . 60 32 54 ILE N N 115.790 . . 61 33 55 GLY H H 7.077 . . 62 33 55 GLY N N 106.917 . . 63 34 56 ALA H H 8.384 . . 64 34 56 ALA N N 123.254 . . 65 35 57 ASP H H 7.752 . . 66 35 57 ASP N N 123.583 . . 67 36 58 SER H H 8.593 . . 68 36 58 SER N N 114.358 . . 69 37 59 LEU H H 8.142 . . 70 37 59 LEU N N 122.528 . . 71 38 60 ALA H H 7.404 . . 72 38 60 ALA N N 121.282 . . 73 39 61 THR H H 8.130 . . 74 39 61 THR N N 111.257 . . 75 40 62 VAL H H 7.177 . . 76 40 62 VAL N N 122.241 . . 77 41 63 GLU H H 7.631 . . 78 41 63 GLU N N 119.571 . . 79 42 64 LEU H H 8.158 . . 80 42 64 LEU N N 122.028 . . 81 43 65 VAL H H 7.890 . . 82 43 65 VAL N N 119.899 . . 83 44 66 MET H H 7.619 . . 84 44 66 MET N N 117.456 . . 85 45 67 ALA H H 7.975 . . 86 45 67 ALA N N 122.145 . . 87 46 68 LEU H H 8.250 . . 88 46 68 LEU N N 121.010 . . 89 47 69 GLU H H 8.533 . . 90 47 69 GLU N N 120.339 . . 91 48 70 GLU H H 7.722 . . 92 48 70 GLU N N 117.383 . . 93 49 71 GLU H H 7.856 . . 94 49 71 GLU N N 119.723 . . 95 50 72 PHE H H 7.661 . . 96 50 72 PHE N N 112.017 . . 97 51 73 ASP H H 7.741 . . 98 51 73 ASP N N 123.070 . . 99 52 74 THR H H 7.911 . . 100 52 74 THR N N 112.944 . . 101 53 75 GLU H H 7.905 . . 102 53 75 GLU N N 122.786 . . 103 54 76 ILE H H 10.200 . . 104 54 76 ILE N N 129.344 . . 105 56 78 ASP H H 8.779 . . 106 56 78 ASP N N 125.723 . . 107 57 79 GLU H H 9.129 . . 108 57 79 GLU N N 116.762 . . 109 58 80 GLU H H 7.078 . . 110 58 80 GLU N N 116.450 . . 111 59 81 ALA H H 8.102 . . 112 59 81 ALA N N 123.464 . . 113 60 82 GLU H H 7.444 . . 114 60 82 GLU N N 112.845 . . 115 61 83 LYS H H 6.903 . . 116 61 83 LYS N N 114.688 . . 117 62 84 ILE H H 7.506 . . 118 62 84 ILE N N 123.308 . . 119 63 85 THR H H 7.839 . . 120 63 85 THR N N 112.565 . . 121 64 86 THR H H 7.055 . . 122 64 86 THR N N 110.823 . . 123 65 87 VAL H H 7.841 . . 124 65 87 VAL N N 121.838 . . 125 66 88 GLN H H 8.541 . . 126 66 88 GLN N N 118.338 . . 127 67 89 ALA H H 7.632 . . 128 67 89 ALA N N 119.762 . . 129 68 90 ALA H H 7.822 . . 130 68 90 ALA N N 123.171 . . 131 69 91 ILE H H 7.985 . . 132 69 91 ILE N N 119.671 . . 133 70 92 ASP H H 8.962 . . 134 70 92 ASP N N 119.487 . . 135 71 93 TYR H H 8.022 . . 136 71 93 TYR N N 122.080 . . 137 72 94 ILE H H 7.998 . . 138 72 94 ILE N N 121.465 . . 139 73 95 ASN H H 8.667 . . 140 73 95 ASN N N 118.646 . . 141 74 96 GLY H H 7.656 . . 142 74 96 GLY N N 105.322 . . 143 75 97 HIS H H 7.474 . . 144 75 97 HIS N N 118.587 . . stop_ save_ save_D38A_AcpP_0.5eqFabB_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $D38A_AcpP_0.5eqFabB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D38A_AcpP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 25 ILE H H 8.369 . . 2 3 25 ILE N N 122.356 . . 3 4 26 GLU H H 8.255 . . 4 4 26 GLU N N 115.039 . . 5 5 27 GLU H H 7.727 . . 6 5 27 GLU N N 117.799 . . 7 6 28 ARG H H 8.183 . . 8 6 28 ARG N N 120.339 . . 9 7 29 VAL H H 8.841 . . 10 7 29 VAL N N 119.605 . . 11 8 30 LYS H H 8.063 . . 12 8 30 LYS N N 117.490 . . 13 9 31 LYS H H 8.065 . . 14 9 31 LYS N N 121.458 . . 15 10 32 ILE H H 7.584 . . 16 10 32 ILE N N 119.958 . . 17 11 33 ILE H H 8.238 . . 18 11 33 ILE N N 119.360 . . 19 12 34 GLY H H 8.237 . . 20 12 34 GLY N N 105.488 . . 21 13 35 GLU H H 8.059 . . 22 13 35 GLU N N 120.774 . . 23 14 36 GLN H H 8.481 . . 24 14 36 GLN N N 117.260 . . 25 15 37 LEU H H 8.066 . . 26 15 37 LEU N N 114.011 . . 27 16 38 GLY H H 7.628 . . 28 16 38 GLY N N 110.424 . . 29 17 39 VAL H H 7.729 . . 30 17 39 VAL N N 114.690 . . 31 18 40 LYS H H 8.420 . . 32 18 40 LYS N N 123.317 . . 33 19 41 GLN H H 8.650 . . 34 19 41 GLN N N 123.258 . . 35 20 42 GLU H H 9.284 . . 36 20 42 GLU N N 117.153 . . 37 21 43 GLU H H 7.756 . . 38 21 43 GLU N N 117.390 . . 39 22 44 VAL H H 7.418 . . 40 22 44 VAL N N 122.850 . . 41 23 45 THR H H 7.171 . . 42 23 45 THR N N 115.870 . . 43 24 46 ASN H H 8.469 . . 44 24 46 ASN N N 119.234 . . 45 25 47 ASN H H 7.968 . . 46 25 47 ASN N N 112.357 . . 47 26 48 ALA H H 7.198 . . 48 26 48 ALA N N 123.488 . . 49 27 49 SER H H 9.821 . . 50 27 49 SER N N 117.516 . . 51 28 50 PHE H H 7.409 . . 52 28 50 PHE N N 125.716 . . 53 29 51 VAL H H 8.621 . . 54 29 51 VAL N N 117.270 . . 55 30 52 GLU H H 8.154 . . 56 30 52 GLU N N 117.260 . . 57 31 53 ASP H H 7.655 . . 58 31 53 ASP N N 114.459 . . 59 32 54 ILE H H 7.231 . . 60 32 54 ILE N N 115.766 . . 61 33 55 GLY H H 7.102 . . 62 33 55 GLY N N 106.914 . . 63 34 56 ALA H H 8.420 . . 64 34 56 ALA N N 123.317 . . 65 35 57 ASP H H 7.774 . . 66 35 57 ASP N N 123.028 . . 67 36 58 SER H H 8.644 . . 68 36 58 SER N N 114.301 . . 69 37 59 LEU H H 8.143 . . 70 37 59 LEU N N 122.053 . . 71 38 60 ALA H H 7.311 . . 72 38 60 ALA N N 120.818 . . 73 39 61 THR H H 8.165 . . 74 39 61 THR N N 111.485 . . 75 40 62 VAL H H 7.171 . . 76 40 62 VAL N N 122.412 . . 77 41 63 GLU H H 7.631 . . 78 41 63 GLU N N 119.571 . . 79 42 64 LEU H H 8.153 . . 80 42 64 LEU N N 121.808 . . 81 43 65 VAL H H 7.872 . . 82 43 65 VAL N N 119.813 . . 83 44 66 MET H H 7.644 . . 84 44 66 MET N N 117.627 . . 85 45 67 ALA H H 8.020 . . 86 45 67 ALA N N 122.091 . . 87 46 68 LEU H H 8.260 . . 88 46 68 LEU N N 120.975 . . 89 47 69 GLU H H 8.501 . . 90 47 69 GLU N N 120.218 . . 91 48 70 GLU H H 7.727 . . 92 48 70 GLU N N 117.337 . . 93 49 71 GLU H H 7.872 . . 94 49 71 GLU N N 119.813 . . 95 50 72 PHE H H 7.646 . . 96 50 72 PHE N N 112.073 . . 97 51 73 ASP H H 7.738 . . 98 51 73 ASP N N 123.026 . . 99 52 74 THR H H 7.934 . . 100 52 74 THR N N 112.972 . . 101 53 75 GLU H H 7.907 . . 102 53 75 GLU N N 122.799 . . 103 54 76 ILE H H 10.232 . . 104 54 76 ILE N N 129.529 . . 105 56 78 ASP H H 8.781 . . 106 56 78 ASP N N 125.733 . . 107 57 79 GLU H H 9.154 . . 108 57 79 GLU N N 116.809 . . 109 58 80 GLU H H 7.076 . . 110 58 80 GLU N N 116.458 . . 111 59 81 ALA H H 8.119 . . 112 59 81 ALA N N 123.508 . . 113 60 82 GLU H H 7.441 . . 114 60 82 GLU N N 112.979 . . 115 61 83 LYS H H 6.911 . . 116 61 83 LYS N N 114.691 . . 117 62 84 ILE H H 7.505 . . 118 62 84 ILE N N 123.219 . . 119 63 85 THR H H 7.815 . . 120 63 85 THR N N 112.555 . . 121 64 86 THR H H 7.039 . . 122 64 86 THR N N 110.872 . . 123 65 87 VAL H H 7.851 . . 124 65 87 VAL N N 121.818 . . 125 66 88 GLN H H 8.522 . . 126 66 88 GLN N N 118.318 . . 127 67 89 ALA H H 7.632 . . 128 67 89 ALA N N 119.762 . . 129 68 90 ALA H H 7.810 . . 130 68 90 ALA N N 123.021 . . 131 69 91 ILE H H 7.982 . . 132 69 91 ILE N N 119.616 . . 133 70 92 ASP H H 8.971 . . 134 70 92 ASP N N 119.462 . . 135 71 93 TYR H H 8.020 . . 136 71 93 TYR N N 122.049 . . 137 72 94 ILE H H 7.996 . . 138 72 94 ILE N N 121.426 . . 139 73 95 ASN H H 8.669 . . 140 73 95 ASN N N 118.619 . . 141 74 96 GLY H H 7.648 . . 142 74 96 GLY N N 105.295 . . 143 75 97 HIS H H 7.472 . . 144 75 97 HIS N N 118.591 . . stop_ save_ save_D38A_AcpP_1.0eqFabB_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $D38A_AcpP_1.0eqFabB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D38A_AcpP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 25 ILE H H 8.370 . . 2 3 25 ILE N N 122.353 . . 3 4 26 GLU H H 8.255 . . 4 4 26 GLU N N 115.076 . . 5 5 27 GLU H H 7.726 . . 6 5 27 GLU N N 117.804 . . 7 6 28 ARG H H 8.185 . . 8 6 28 ARG N N 120.340 . . 9 7 29 VAL H H 8.840 . . 10 7 29 VAL N N 119.607 . . 11 8 30 LYS H H 8.062 . . 12 8 30 LYS N N 117.488 . . 13 9 31 LYS H H 8.065 . . 14 9 31 LYS N N 121.457 . . 15 10 32 ILE H H 7.594 . . 16 10 32 ILE N N 119.877 . . 17 11 33 ILE H H 8.228 . . 18 11 33 ILE N N 119.347 . . 19 12 34 GLY H H 8.234 . . 20 12 34 GLY N N 105.473 . . 21 13 35 GLU H H 8.060 . . 22 13 35 GLU N N 120.807 . . 23 14 36 GLN H H 8.477 . . 24 14 36 GLN N N 117.227 . . 25 15 37 LEU H H 8.056 . . 26 15 37 LEU N N 113.959 . . 27 16 38 GLY H H 7.633 . . 28 16 38 GLY N N 110.417 . . 29 17 39 VAL H H 7.733 . . 30 17 39 VAL N N 114.692 . . 31 18 40 LYS H H 8.425 . . 32 18 40 LYS N N 123.325 . . 33 19 41 GLN H H 8.651 . . 34 19 41 GLN N N 123.235 . . 35 20 42 GLU H H 9.284 . . 36 20 42 GLU N N 117.165 . . 37 21 43 GLU H H 7.749 . . 38 21 43 GLU N N 117.309 . . 39 22 44 VAL H H 7.419 . . 40 22 44 VAL N N 122.850 . . 41 23 45 THR H H 7.170 . . 42 23 45 THR N N 115.849 . . 43 24 46 ASN H H 8.468 . . 44 24 46 ASN N N 119.221 . . 45 25 47 ASN H H 7.967 . . 46 25 47 ASN N N 112.341 . . 47 26 48 ALA H H 7.202 . . 48 26 48 ALA N N 123.488 . . 49 27 49 SER H H 9.825 . . 50 27 49 SER N N 117.540 . . 51 28 50 PHE H H 7.410 . . 52 28 50 PHE N N 125.759 . . 53 29 51 VAL H H 8.622 . . 54 29 51 VAL N N 117.318 . . 55 30 52 GLU H H 8.158 . . 56 30 52 GLU N N 117.258 . . 57 31 53 ASP H H 7.657 . . 58 31 53 ASP N N 114.408 . . 59 32 54 ILE H H 7.223 . . 60 32 54 ILE N N 115.752 . . 61 33 55 GLY H H 7.115 . . 62 33 55 GLY N N 106.915 . . 63 34 56 ALA H H 8.425 . . 64 34 56 ALA N N 123.325 . . 65 35 57 ASP H H 7.786 . . 66 35 57 ASP N N 122.720 . . 67 36 58 SER H H 8.673 . . 68 36 58 SER N N 114.257 . . 69 37 59 LEU H H 8.148 . . 70 37 59 LEU N N 121.690 . . 71 38 60 ALA H H 7.259 . . 72 38 60 ALA N N 120.569 . . 73 39 61 THR H H 8.183 . . 74 39 61 THR N N 111.606 . . 75 40 62 VAL H H 7.166 . . 76 40 62 VAL N N 122.497 . . 77 41 63 GLU H H 7.623 . . 78 41 63 GLU N N 119.623 . . 79 42 64 LEU H H 8.148 . . 80 42 64 LEU N N 121.690 . . 81 43 65 VAL H H 7.863 . . 82 43 65 VAL N N 119.820 . . 83 44 66 MET H H 7.655 . . 84 44 66 MET N N 117.726 . . 85 45 67 ALA H H 8.039 . . 86 45 67 ALA N N 122.009 . . 87 46 68 LEU H H 8.262 . . 88 46 68 LEU N N 120.960 . . 89 47 69 GLU H H 8.484 . . 90 47 69 GLU N N 120.157 . . 91 48 70 GLU H H 7.728 . . 92 48 70 GLU N N 117.306 . . 93 49 71 GLU H H 7.882 . . 94 49 71 GLU N N 119.758 . . 95 50 72 PHE H H 7.634 . . 96 50 72 PHE N N 112.106 . . 97 51 73 ASP H H 7.734 . . 98 51 73 ASP N N 122.997 . . 99 52 74 THR H H 7.945 . . 100 52 74 THR N N 112.986 . . 101 53 75 GLU H H 7.907 . . 102 53 75 GLU N N 122.808 . . 103 54 76 ILE H H 10.249 . . 104 54 76 ILE N N 129.628 . . 105 56 78 ASP H H 8.782 . . 106 56 78 ASP N N 125.739 . . 107 57 79 GLU H H 9.166 . . 108 57 79 GLU N N 116.824 . . 109 58 80 GLU H H 7.073 . . 110 58 80 GLU N N 116.453 . . 111 59 81 ALA H H 8.129 . . 112 59 81 ALA N N 123.561 . . 113 60 82 GLU H H 7.438 . . 114 60 82 GLU N N 113.065 . . 115 61 83 LYS H H 6.913 . . 116 61 83 LYS N N 114.694 . . 117 62 84 ILE H H 7.502 . . 118 62 84 ILE N N 123.173 . . 119 63 85 THR H H 7.801 . . 120 63 85 THR N N 112.550 . . 121 64 86 THR H H 7.029 . . 122 64 86 THR N N 110.914 . . 123 65 87 VAL H H 7.857 . . 124 65 87 VAL N N 121.809 . . 125 66 88 GLN H H 8.512 . . 126 66 88 GLN N N 118.310 . . 127 67 89 ALA H H 7.637 . . 128 67 89 ALA N N 119.752 . . 129 68 90 ALA H H 7.803 . . 130 68 90 ALA N N 122.956 . . 131 69 91 ILE H H 7.980 . . 132 69 91 ILE N N 119.597 . . 133 70 92 ASP H H 8.975 . . 134 70 92 ASP N N 119.443 . . 135 71 93 TYR H H 8.021 . . 136 71 93 TYR N N 121.992 . . 137 72 94 ILE H H 7.993 . . 138 72 94 ILE N N 121.402 . . 139 73 95 ASN H H 8.670 . . 140 73 95 ASN N N 118.607 . . 141 74 96 GLY H H 7.643 . . 142 74 96 GLY N N 105.268 . . 143 75 97 HIS H H 7.469 . . 144 75 97 HIS N N 118.584 . . stop_ save_ save_D38A_AcpP_1.5eqFabB_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $D38A_AcpP_1.5eqFabB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D38A_AcpP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 25 ILE H H 8.370 . . 2 3 25 ILE N N 122.350 . . 3 4 26 GLU H H 8.255 . . 4 4 26 GLU N N 115.074 . . 5 5 27 GLU H H 7.727 . . 6 5 27 GLU N N 117.806 . . 7 6 28 ARG H H 8.185 . . 8 6 28 ARG N N 120.340 . . 9 7 29 VAL H H 8.841 . . 10 7 29 VAL N N 119.610 . . 11 8 30 LYS H H 8.063 . . 12 8 30 LYS N N 117.485 . . 13 9 31 LYS H H 8.065 . . 14 9 31 LYS N N 121.462 . . 15 10 32 ILE H H 7.596 . . 16 10 32 ILE N N 119.862 . . 17 11 33 ILE H H 8.223 . . 18 11 33 ILE N N 119.349 . . 19 12 34 GLY H H 8.233 . . 20 12 34 GLY N N 105.468 . . 21 13 35 GLU H H 8.062 . . 22 13 35 GLU N N 120.819 . . 23 14 36 GLN H H 8.476 . . 24 14 36 GLN N N 117.203 . . 25 15 37 LEU H H 8.051 . . 26 15 37 LEU N N 113.930 . . 27 16 38 GLY H H 7.635 . . 28 16 38 GLY N N 110.424 . . 29 17 39 VAL H H 7.736 . . 30 17 39 VAL N N 114.678 . . 31 18 40 LYS H H 8.427 . . 32 18 40 LYS N N 123.330 . . 33 19 41 GLN H H 8.652 . . 34 19 41 GLN N N 123.228 . . 35 20 42 GLU H H 9.284 . . 36 20 42 GLU N N 117.170 . . 37 21 43 GLU H H 7.744 . . 38 21 43 GLU N N 117.235 . . 39 22 44 VAL H H 7.420 . . 40 22 44 VAL N N 122.854 . . 41 23 45 THR H H 7.170 . . 42 23 45 THR N N 115.835 . . 43 24 46 ASN H H 8.469 . . 44 24 46 ASN N N 119.224 . . 45 25 47 ASN H H 7.967 . . 46 25 47 ASN N N 112.332 . . 47 26 48 ALA H H 7.204 . . 48 26 48 ALA N N 123.488 . . 49 27 49 SER H H 9.828 . . 50 27 49 SER N N 117.570 . . 51 28 50 PHE H H 7.412 . . 52 28 50 PHE N N 125.804 . . 53 29 51 VAL H H 8.622 . . 54 29 51 VAL N N 117.345 . . 55 30 52 GLU H H 8.161 . . 56 30 52 GLU N N 117.267 . . 57 31 53 ASP H H 7.659 . . 58 31 53 ASP N N 114.392 . . 59 32 54 ILE H H 7.216 . . 60 32 54 ILE N N 115.752 . . 61 33 55 GLY H H 7.123 . . 62 33 55 GLY N N 106.906 . . 63 34 56 ALA H H 8.439 . . 64 34 56 ALA N N 123.330 . . 65 35 57 ASP H H 7.795 . . 66 35 57 ASP N N 122.609 . . 67 36 58 SER H H 8.688 . . 68 36 58 SER N N 114.228 . . 69 37 59 LEU H H 8.147 . . 70 37 59 LEU N N 121.599 . . 71 38 60 ALA H H 7.230 . . 72 38 60 ALA N N 120.412 . . 73 39 61 THR H H 8.195 . . 74 39 61 THR N N 111.680 . . 75 40 62 VAL H H 7.164 . . 76 40 62 VAL N N 122.566 . . 77 41 63 GLU H H 7.623 . . 78 41 63 GLU N N 119.470 . . 79 42 64 LEU H H 8.147 . . 80 42 64 LEU N N 121.599 . . 81 43 65 VAL H H 7.853 . . 82 43 65 VAL N N 119.829 . . 83 44 66 MET H H 7.663 . . 84 44 66 MET N N 117.782 . . 85 45 67 ALA H H 8.053 . . 86 45 67 ALA N N 122.021 . . 87 46 68 LEU H H 8.265 . . 88 46 68 LEU N N 120.954 . . 89 47 69 GLU H H 8.475 . . 90 47 69 GLU N N 120.118 . . 91 48 70 GLU H H 7.726 . . 92 48 70 GLU N N 117.302 . . 93 49 71 GLU H H 7.889 . . 94 49 71 GLU N N 119.754 . . 95 50 72 PHE H H 7.630 . . 96 50 72 PHE N N 112.125 . . 97 51 73 ASP H H 7.734 . . 98 51 73 ASP N N 122.987 . . 99 52 74 THR H H 7.953 . . 100 52 74 THR N N 112.997 . . 101 53 75 GLU H H 7.907 . . 102 53 75 GLU N N 122.811 . . 103 54 76 ILE H H 10.260 . . 104 54 76 ILE N N 129.706 . . 105 56 78 ASP H H 8.783 . . 106 56 78 ASP N N 125.745 . . 107 57 79 GLU H H 9.175 . . 108 57 79 GLU N N 116.836 . . 109 58 80 GLU H H 7.072 . . 110 58 80 GLU N N 116.459 . . 111 59 81 ALA H H 8.135 . . 112 59 81 ALA N N 123.583 . . 113 60 82 GLU H H 7.436 . . 114 60 82 GLU N N 113.111 . . 115 61 83 LYS H H 6.915 . . 116 61 83 LYS N N 114.692 . . 117 62 84 ILE H H 7.502 . . 118 62 84 ILE N N 123.135 . . 119 63 85 THR H H 7.795 . . 120 63 85 THR N N 112.530 . . 121 64 86 THR H H 7.025 . . 122 64 86 THR N N 110.933 . . 123 65 87 VAL H H 7.860 . . 124 65 87 VAL N N 121.798 . . 125 66 88 GLN H H 8.506 . . 126 66 88 GLN N N 118.297 . . 127 67 89 ALA H H 7.643 . . 128 67 89 ALA N N 119.759 . . 129 68 90 ALA H H 7.800 . . 130 68 90 ALA N N 122.873 . . 131 69 91 ILE H H 7.979 . . 132 69 91 ILE N N 119.581 . . 133 70 92 ASP H H 8.978 . . 134 70 92 ASP N N 119.428 . . 135 71 93 TYR H H 8.019 . . 136 71 93 TYR N N 121.970 . . 137 72 94 ILE H H 7.994 . . 138 72 94 ILE N N 121.398 . . 139 73 95 ASN H H 8.671 . . 140 73 95 ASN N N 118.597 . . 141 74 96 GLY H H 7.640 . . 142 74 96 GLY N N 105.254 . . 143 75 97 HIS H H 7.469 . . 144 75 97 HIS N N 118.582 . . stop_ save_ save_D38A_AcpP_2.0eqFabB_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $D38A_AcpP_2.0eqFabB stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D38A_AcpP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 25 ILE H H 8.370 . . 2 3 25 ILE N N 122.347 . . 3 4 26 GLU H H 8.257 . . 4 4 26 GLU N N 115.100 . . 5 5 27 GLU H H 7.725 . . 6 5 27 GLU N N 117.799 . . 7 6 28 ARG H H 8.186 . . 8 6 28 ARG N N 120.339 . . 9 7 29 VAL H H 8.839 . . 10 7 29 VAL N N 119.606 . . 11 8 30 LYS H H 8.062 . . 12 8 30 LYS N N 117.484 . . 13 9 31 LYS H H 8.064 . . 14 9 31 LYS N N 121.457 . . 15 10 32 ILE H H 7.594 . . 16 10 32 ILE N N 119.870 . . 17 11 33 ILE H H 8.221 . . 18 11 33 ILE N N 119.343 . . 19 12 34 GLY H H 8.232 . . 20 12 34 GLY N N 105.460 . . 21 13 35 GLU H H 8.061 . . 22 13 35 GLU N N 120.822 . . 23 14 36 GLN H H 8.476 . . 24 14 36 GLN N N 117.197 . . 25 15 37 LEU H H 8.048 . . 26 15 37 LEU N N 113.915 . . 27 16 38 GLY H H 7.636 . . 28 16 38 GLY N N 110.412 . . 29 17 39 VAL H H 7.737 . . 30 17 39 VAL N N 114.676 . . 31 18 40 LYS H H 8.428 . . 32 18 40 LYS N N 123.332 . . 33 19 41 GLN H H 8.652 . . 34 19 41 GLN N N 123.224 . . 35 20 42 GLU H H 9.284 . . 36 20 42 GLU N N 117.175 . . 37 21 43 GLU H H 7.722 . . 38 21 43 GLU N N 117.281 . . 39 22 44 VAL H H 7.420 . . 40 22 44 VAL N N 122.854 . . 41 23 45 THR H H 7.169 . . 42 23 45 THR N N 115.824 . . 43 24 46 ASN H H 8.469 . . 44 24 46 ASN N N 119.224 . . 45 25 47 ASN H H 7.967 . . 46 25 47 ASN N N 112.330 . . 47 26 48 ALA H H 7.206 . . 48 26 48 ALA N N 123.492 . . 49 27 49 SER H H 9.829 . . 50 27 49 SER N N 117.573 . . 51 28 50 PHE H H 7.412 . . 52 28 50 PHE N N 125.827 . . 53 29 51 VAL H H 8.623 . . 54 29 51 VAL N N 117.354 . . 55 30 52 GLU H H 8.163 . . 56 30 52 GLU N N 117.255 . . 57 31 53 ASP H H 7.660 . . 58 31 53 ASP N N 114.374 . . 59 32 54 ILE H H 7.214 . . 60 32 54 ILE N N 115.752 . . 61 33 55 GLY H H 7.127 . . 62 33 55 GLY N N 106.917 . . 63 34 56 ALA H H 8.451 . . 64 34 56 ALA N N 123.299 . . 65 35 57 ASP H H 7.796 . . 66 35 57 ASP N N 122.474 . . 67 36 58 SER H H 8.695 . . 68 36 58 SER N N 114.224 . . 69 37 59 LEU H H 8.148 . . 70 37 59 LEU N N 121.553 . . 71 38 60 ALA H H 7.214 . . 72 38 60 ALA N N 120.340 . . 73 39 61 THR H H 8.202 . . 74 39 61 THR N N 111.726 . . 75 40 62 VAL H H 7.162 . . 76 40 62 VAL N N 122.589 . . 77 41 63 GLU H H 7.620 . . 78 41 63 GLU N N 119.511 . . 79 42 64 LEU H H 8.148 . . 80 42 64 LEU N N 121.553 . . 81 43 65 VAL H H 7.850 . . 82 43 65 VAL N N 119.818 . . 83 44 66 MET H H 7.666 . . 84 44 66 MET N N 117.816 . . 85 45 67 ALA H H 8.060 . . 86 45 67 ALA N N 122.009 . . 87 46 68 LEU H H 8.267 . . 88 46 68 LEU N N 120.949 . . 89 47 69 GLU H H 8.470 . . 90 47 69 GLU N N 120.096 . . 91 48 70 GLU H H 7.740 . . 92 48 70 GLU N N 117.239 . . 93 49 71 GLU H H 7.892 . . 94 49 71 GLU N N 119.754 . . 95 50 72 PHE H H 7.629 . . 96 50 72 PHE N N 112.134 . . 97 51 73 ASP H H 7.733 . . 98 51 73 ASP N N 122.987 . . 99 52 74 THR H H 7.956 . . 100 52 74 THR N N 113.000 . . 101 53 75 GLU H H 7.907 . . 102 53 75 GLU N N 122.812 . . 103 54 76 ILE H H 10.266 . . 104 54 76 ILE N N 129.729 . . 105 56 78 ASP H H 8.782 . . 106 56 78 ASP N N 125.752 . . 107 57 79 GLU H H 9.179 . . 108 57 79 GLU N N 116.841 . . 109 58 80 GLU H H 7.072 . . 110 58 80 GLU N N 116.462 . . 111 59 81 ALA H H 8.135 . . 112 59 81 ALA N N 123.588 . . 113 60 82 GLU H H 7.434 . . 114 60 82 GLU N N 113.133 . . 115 61 83 LYS H H 6.916 . . 116 61 83 LYS N N 114.690 . . 117 62 84 ILE H H 7.500 . . 118 62 84 ILE N N 123.122 . . 119 63 85 THR H H 7.790 . . 120 63 85 THR N N 112.536 . . 121 64 86 THR H H 7.020 . . 122 64 86 THR N N 110.927 . . 123 65 87 VAL H H 7.864 . . 124 65 87 VAL N N 121.811 . . 125 66 88 GLN H H 8.504 . . 126 66 88 GLN N N 118.300 . . 127 67 89 ALA H H 7.641 . . 128 67 89 ALA N N 119.769 . . 129 68 90 ALA H H 7.799 . . 130 68 90 ALA N N 122.867 . . 131 69 91 ILE H H 7.979 . . 132 69 91 ILE N N 119.585 . . 133 70 92 ASP H H 8.978 . . 134 70 92 ASP N N 119.420 . . 135 71 93 TYR H H 8.016 . . 136 71 93 TYR N N 121.957 . . 137 72 94 ILE H H 7.992 . . 138 72 94 ILE N N 121.393 . . 139 73 95 ASN H H 8.671 . . 140 73 95 ASN N N 118.597 . . 141 74 96 GLY H H 7.638 . . 142 74 96 GLY N N 105.251 . . 143 75 97 HIS H H 7.468 . . 144 75 97 HIS N N 118.580 . . stop_ save_